Abstract

The complex [PBu4]2[Pd2(í-CO)2Cl4] has been prepared in high yields by carbonylation of [PBu4]2[Pd2Cl6]. Methanol,
potassium acetate, or CO readily reacted under ambient conditions to quantitatively afford a series of dipalladium-
(I) complexes, namely [Pd2(í-CO)2Cl3(OCH3)]2-, [Pd2(í-CO)2Cl3(OC(O)CH3)]2-, [Pd2(í-CO)2Cl3(CO)]-, and [Pd2(í-CO)2Cl2(OCH3)(CO)]-, all of which have the Pd2(í-CO)2 core preserved. All these complexes have been characterized
by infrared and NMR spectroscopies; the high îCO stretching wavenumbers observed and the diamagnetic character
of these complexes prompted us to perform theoretical calculations to describe the electronic structure of the
Pd2(í-CO)2 core and to gain an intimate description of the Pd-CO bonds. The pairing of the two lonely electrons
of the Pd d9 atoms is due to the delocalization along the CO bridging ligands.

Item Type:

Article

Additional Information:

Thanks to American Chemical Society editor. The definitive version is available at http://pubs.acs.org The original PDF of the article can be found at Inorganic Chemistry website :
http://pubs.acs.org/journal/inocaj